CID 59781841

1008770-36-2

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1C(CC1N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2

InChIKey

AGSIJZVQLSIIIW-UHFFFAOYSA-N

Compound name

benzyl 3-aminocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 205.11028 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.11756	144.5
[M+Na]+	228.09950	148.9
[M-H]-	204.10300	150.2
[M+NH4]+	223.14410	156.2
[M+K]+	244.07344	150.1
[M+H-H2O]+	188.10754	132.1
[M+HCOO]-	250.10848	166.2
[M+CH3COO]-	264.12413	190.4
[M+Na-2H]-	226.08495	148.0
[M]+	205.10973	151.3
[M]-	205.11083	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe